USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HE2:sc= 0.678 K(o=1.9,f=-7.1!) USER MOD Set 1.2: A 405 THR OG1 : rot -106:sc= 1.27 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -23:sc= -1.16! USER MOD Single : A 382 ASN :FLIP amide:sc= -3.58! C(o=-9.3!,f=-3.6!) USER MOD Single : A 383 LYS NZ :NH3+ -173:sc= 0.182 (180deg=0.0909) USER MOD Single : A 384 LYS NZ :NH3+ -174:sc= 0.00359 (180deg=0.00255) USER MOD Single : A 386 GLN : amide:sc= -2.03! C(o=-2!,f=-2!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.9!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.676 F(o=-4.5!,f=-0.68) USER MOD Single : A 402 LYS NZ :NH3+ -170:sc= -0.0178 (180deg=-0.178) USER MOD Single : A 403 LYS NZ :NH3+ 142:sc= -3.93! (180deg=-6.16!) USER MOD Single : A 408 LYS NZ :NH3+ 166:sc= -0.0169 (180deg=-0.216) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.394 5.672 -3.172 1.00 0.00 N ATOM 340 CA GLU A 376 -3.902 5.566 -4.531 1.00 0.00 C ATOM 341 C GLU A 376 -4.939 6.652 -4.799 1.00 0.00 C ATOM 342 O GLU A 376 -4.842 7.761 -4.274 1.00 0.00 O ATOM 343 CB GLU A 376 -4.509 4.179 -4.752 1.00 0.00 C ATOM 344 CG GLU A 376 -3.571 3.036 -4.401 1.00 0.00 C ATOM 345 CD GLU A 376 -4.153 1.685 -4.767 1.00 0.00 C ATOM 346 OE1 GLU A 376 -5.267 1.373 -4.296 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.496 0.939 -5.522 1.00 0.00 O ATOM 0 HA GLU A 376 -3.076 5.704 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.415 4.090 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.806 4.085 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.623 3.174 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.356 3.060 -3.333 1.00 0.00 H new ATOM 354 N THR A 377 -5.927 6.328 -5.618 1.00 0.00 N ATOM 355 CA THR A 377 -6.975 7.272 -5.959 1.00 0.00 C ATOM 356 C THR A 377 -8.320 6.573 -6.036 1.00 0.00 C ATOM 357 O THR A 377 -8.388 5.369 -6.282 1.00 0.00 O ATOM 358 CB THR A 377 -6.679 7.977 -7.293 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.677 7.024 -8.363 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.331 8.677 -7.229 1.00 0.00 C ATOM 0 H THR A 377 -6.024 5.414 -6.060 1.00 0.00 H new ATOM 0 HA THR A 377 -7.008 8.024 -5.171 1.00 0.00 H new ATOM 0 HB THR A 377 -7.457 8.719 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.489 7.482 -9.209 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.133 9.172 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.343 9.418 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.549 7.943 -7.032 1.00 0.00 H new ATOM 368 N GLU A 378 -9.384 7.329 -5.798 1.00 0.00 N ATOM 369 CA GLU A 378 -10.732 6.779 -5.818 1.00 0.00 C ATOM 370 C GLU A 378 -10.932 5.878 -7.026 1.00 0.00 C ATOM 371 O GLU A 378 -11.582 4.838 -6.940 1.00 0.00 O ATOM 372 CB GLU A 378 -11.767 7.904 -5.830 1.00 0.00 C ATOM 373 CG GLU A 378 -13.195 7.410 -5.673 1.00 0.00 C ATOM 374 CD GLU A 378 -14.218 8.526 -5.780 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.812 9.689 -5.986 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.427 8.234 -5.658 1.00 0.00 O ATOM 0 H GLU A 378 -9.339 8.326 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.866 6.183 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.542 8.604 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.682 8.456 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.401 6.660 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.300 6.918 -4.706 1.00 0.00 H new ATOM 383 N GLY A 379 -10.372 6.292 -8.151 1.00 0.00 N ATOM 384 CA GLY A 379 -10.497 5.521 -9.371 1.00 0.00 C ATOM 385 C GLY A 379 -9.840 4.158 -9.295 1.00 0.00 C ATOM 386 O GLY A 379 -10.392 3.175 -9.787 1.00 0.00 O ATOM 0 H GLY A 379 -9.831 7.152 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.554 5.393 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.055 6.083 -10.194 1.00 0.00 H new ATOM 390 N SER A 380 -8.657 4.092 -8.695 1.00 0.00 N ATOM 391 CA SER A 380 -7.940 2.825 -8.587 1.00 0.00 C ATOM 392 C SER A 380 -8.577 1.898 -7.555 1.00 0.00 C ATOM 393 O SER A 380 -8.756 0.706 -7.807 1.00 0.00 O ATOM 394 CB SER A 380 -6.478 3.076 -8.223 1.00 0.00 C ATOM 395 OG SER A 380 -6.374 3.729 -6.972 1.00 0.00 O ATOM 0 H SER A 380 -8.177 4.891 -8.280 1.00 0.00 H new ATOM 0 HA SER A 380 -7.996 2.334 -9.558 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.940 2.129 -8.189 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.006 3.683 -8.995 1.00 0.00 H new ATOM 0 HG SER A 380 -7.208 4.207 -6.782 1.00 0.00 H new ATOM 401 N CYS A 381 -8.905 2.448 -6.389 1.00 0.00 N ATOM 402 CA CYS A 381 -9.502 1.669 -5.305 1.00 0.00 C ATOM 403 C CYS A 381 -10.773 0.949 -5.746 1.00 0.00 C ATOM 404 O CYS A 381 -10.951 -0.235 -5.453 1.00 0.00 O ATOM 405 CB CYS A 381 -9.808 2.571 -4.113 1.00 0.00 C ATOM 406 SG CYS A 381 -8.343 3.375 -3.389 1.00 0.00 S ATOM 0 H CYS A 381 -8.767 3.434 -6.169 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.775 0.911 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.513 3.341 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.302 1.980 -3.342 1.00 0.00 H new ATOM 411 N ASN A 382 -11.655 1.662 -6.438 1.00 0.00 N ATOM 412 CA ASN A 382 -12.911 1.076 -6.904 1.00 0.00 C ATOM 413 C ASN A 382 -12.650 -0.188 -7.706 1.00 0.00 C ATOM 414 O ASN A 382 -13.421 -1.146 -7.650 1.00 0.00 O ATOM 415 CB ASN A 382 -13.689 2.079 -7.759 1.00 0.00 C ATOM 416 CG ASN A 382 -13.996 3.369 -7.023 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.546 3.470 -5.778 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.631 4.270 -7.571 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.526 2.642 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.507 0.820 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.114 2.307 -8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.623 1.622 -8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.959 4.152 -8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.829 5.134 -7.066 1.00 0.00 H new ATOM 425 N LYS A 383 -11.559 -0.177 -8.454 1.00 0.00 N ATOM 426 CA LYS A 383 -11.185 -1.313 -9.279 1.00 0.00 C ATOM 427 C LYS A 383 -10.619 -2.449 -8.431 1.00 0.00 C ATOM 428 O LYS A 383 -10.816 -3.623 -8.745 1.00 0.00 O ATOM 429 CB LYS A 383 -10.163 -0.874 -10.327 1.00 0.00 C ATOM 430 CG LYS A 383 -10.612 0.335 -11.135 1.00 0.00 C ATOM 431 CD LYS A 383 -11.915 0.064 -11.874 1.00 0.00 C ATOM 432 CE LYS A 383 -12.357 1.270 -12.684 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.594 2.460 -11.821 1.00 0.00 N ATOM 0 H LYS A 383 -10.914 0.611 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.079 -1.684 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.221 -0.641 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.969 -1.705 -11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.741 1.190 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.836 0.603 -11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.788 -0.793 -12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.693 -0.199 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.596 1.506 -13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.270 1.028 -13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.007 3.226 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.250 2.208 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.692 2.779 -11.414 1.00 0.00 H new ATOM 447 N LYS A 384 -9.897 -2.096 -7.369 1.00 0.00 N ATOM 448 CA LYS A 384 -9.289 -3.074 -6.499 1.00 0.00 C ATOM 449 C LYS A 384 -10.290 -4.050 -5.928 1.00 0.00 C ATOM 450 O LYS A 384 -11.437 -3.712 -5.637 1.00 0.00 O ATOM 451 CB LYS A 384 -8.569 -2.376 -5.359 1.00 0.00 C ATOM 452 CG LYS A 384 -7.626 -1.306 -5.842 1.00 0.00 C ATOM 453 CD LYS A 384 -6.534 -1.876 -6.724 1.00 0.00 C ATOM 454 CE LYS A 384 -6.907 -1.811 -8.196 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.763 -2.169 -9.078 1.00 0.00 N ATOM 0 H LYS A 384 -9.724 -1.128 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.584 -3.641 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.304 -1.932 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.012 -3.113 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.185 -0.552 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.176 -0.804 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.608 -1.325 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.343 -2.912 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.739 -2.488 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.251 -0.806 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.029 -2.014 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.943 -1.574 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.516 -3.169 -8.938 1.00 0.00 H new ATOM 469 N ASP A 385 -9.807 -5.256 -5.744 1.00 0.00 N ATOM 470 CA ASP A 385 -10.599 -6.331 -5.165 1.00 0.00 C ATOM 471 C ASP A 385 -10.450 -6.297 -3.651 1.00 0.00 C ATOM 472 O ASP A 385 -9.759 -5.432 -3.120 1.00 0.00 O ATOM 473 CB ASP A 385 -10.156 -7.689 -5.714 1.00 0.00 C ATOM 474 CG ASP A 385 -10.391 -7.813 -7.207 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.557 -7.690 -7.636 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.410 -8.036 -7.947 1.00 0.00 O ATOM 0 H ASP A 385 -8.855 -5.526 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.646 -6.189 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.097 -7.836 -5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.697 -8.481 -5.197 1.00 0.00 H new ATOM 481 N GLN A 386 -11.091 -7.229 -2.957 1.00 0.00 N ATOM 482 CA GLN A 386 -11.011 -7.273 -1.500 1.00 0.00 C ATOM 483 C GLN A 386 -9.559 -7.177 -1.037 1.00 0.00 C ATOM 484 O GLN A 386 -9.200 -6.287 -0.264 1.00 0.00 O ATOM 485 CB GLN A 386 -11.655 -8.562 -0.977 1.00 0.00 C ATOM 486 CG GLN A 386 -11.796 -8.621 0.539 1.00 0.00 C ATOM 487 CD GLN A 386 -10.467 -8.757 1.257 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.737 -9.728 1.060 1.00 0.00 O ATOM 489 NE2 GLN A 386 -10.146 -7.780 2.099 1.00 0.00 N ATOM 0 H GLN A 386 -11.668 -7.960 -3.374 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.555 -6.419 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.642 -8.670 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.059 -9.413 -1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -12.299 -7.718 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.434 -9.464 0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.781 -6.993 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -9.265 -7.817 2.612 1.00 0.00 H new ATOM 498 N ASN A 387 -8.729 -8.092 -1.523 1.00 0.00 N ATOM 499 CA ASN A 387 -7.316 -8.114 -1.166 1.00 0.00 C ATOM 500 C ASN A 387 -6.587 -6.886 -1.706 1.00 0.00 C ATOM 501 O ASN A 387 -5.622 -6.413 -1.105 1.00 0.00 O ATOM 502 CB ASN A 387 -6.655 -9.387 -1.698 1.00 0.00 C ATOM 503 CG ASN A 387 -5.188 -9.473 -1.340 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.818 -9.413 -0.168 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.345 -9.623 -2.349 1.00 0.00 N ATOM 0 H ASN A 387 -9.011 -8.831 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.247 -8.099 -0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.175 -10.257 -1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.764 -9.423 -2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.343 -9.694 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.697 -9.668 -3.305 1.00 0.00 H new ATOM 512 N GLU A 388 -7.043 -6.384 -2.851 1.00 0.00 N ATOM 513 CA GLU A 388 -6.422 -5.221 -3.478 1.00 0.00 C ATOM 514 C GLU A 388 -6.858 -3.919 -2.819 1.00 0.00 C ATOM 515 O GLU A 388 -6.209 -2.889 -2.999 1.00 0.00 O ATOM 516 CB GLU A 388 -6.730 -5.190 -4.975 1.00 0.00 C ATOM 517 CG GLU A 388 -6.106 -6.346 -5.743 1.00 0.00 C ATOM 518 CD GLU A 388 -6.335 -6.246 -7.238 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.925 -5.229 -7.836 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.920 -7.188 -7.813 1.00 0.00 O ATOM 0 H GLU A 388 -7.839 -6.764 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.345 -5.314 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.811 -5.210 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.371 -4.250 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.035 -6.372 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.521 -7.285 -5.378 1.00 0.00 H new ATOM 527 N CYS A 389 -7.944 -3.961 -2.048 1.00 0.00 N ATOM 528 CA CYS A 389 -8.417 -2.762 -1.369 1.00 0.00 C ATOM 529 C CYS A 389 -7.303 -2.242 -0.471 1.00 0.00 C ATOM 530 O CYS A 389 -7.069 -2.764 0.619 1.00 0.00 O ATOM 531 CB CYS A 389 -9.681 -3.065 -0.559 1.00 0.00 C ATOM 532 SG CYS A 389 -10.604 -1.585 -0.028 1.00 0.00 S ATOM 0 H CYS A 389 -8.502 -4.798 -1.881 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.677 -1.999 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.340 -3.694 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.404 -3.642 0.323 1.00 0.00 H new ATOM 537 N LYS A 390 -6.589 -1.238 -0.966 1.00 0.00 N ATOM 538 CA LYS A 390 -5.457 -0.664 -0.246 1.00 0.00 C ATOM 539 C LYS A 390 -5.889 0.109 0.992 1.00 0.00 C ATOM 540 O LYS A 390 -7.057 0.468 1.144 1.00 0.00 O ATOM 541 CB LYS A 390 -4.652 0.230 -1.180 1.00 0.00 C ATOM 542 CG LYS A 390 -3.991 -0.533 -2.321 1.00 0.00 C ATOM 543 CD LYS A 390 -2.808 -1.353 -1.835 1.00 0.00 C ATOM 544 CE LYS A 390 -2.130 -2.082 -2.982 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.957 -2.875 -2.520 1.00 0.00 N ATOM 0 H LYS A 390 -6.775 -0.802 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.833 -1.488 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.308 0.995 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.884 0.747 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.722 -1.191 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.658 0.170 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.089 -0.699 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.145 -2.075 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.848 -2.744 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.807 -1.359 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.522 -3.357 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.260 -2.240 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.268 -3.582 -1.824 1.00 0.00 H new ATOM 559 N SER A 391 -4.928 0.342 1.886 1.00 0.00 N ATOM 560 CA SER A 391 -5.187 1.052 3.134 1.00 0.00 C ATOM 561 C SER A 391 -5.910 2.375 2.885 1.00 0.00 C ATOM 562 O SER A 391 -6.995 2.589 3.426 1.00 0.00 O ATOM 563 CB SER A 391 -3.882 1.290 3.900 1.00 0.00 C ATOM 564 OG SER A 391 -4.123 1.961 5.123 1.00 0.00 O ATOM 0 H SER A 391 -3.959 0.047 1.766 1.00 0.00 H new ATOM 0 HA SER A 391 -5.839 0.425 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.393 0.336 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.199 1.879 3.287 1.00 0.00 H new ATOM 0 HG SER A 391 -3.274 2.099 5.593 1.00 0.00 H new ATOM 570 N PRO A 392 -5.341 3.286 2.060 1.00 0.00 N ATOM 571 CA PRO A 392 -5.981 4.559 1.773 1.00 0.00 C ATOM 572 C PRO A 392 -7.442 4.361 1.396 1.00 0.00 C ATOM 573 O PRO A 392 -8.304 5.168 1.748 1.00 0.00 O ATOM 574 CB PRO A 392 -5.201 5.116 0.587 1.00 0.00 C ATOM 575 CG PRO A 392 -3.912 4.389 0.535 1.00 0.00 C ATOM 576 CD PRO A 392 -4.051 3.145 1.359 1.00 0.00 C ATOM 0 HA PRO A 392 -5.972 5.226 2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.758 4.979 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.035 6.187 0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.657 4.138 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.106 5.014 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.040 2.254 0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.227 3.047 2.066 1.00 0.00 H new ATOM 584 N CYS A 393 -7.707 3.270 0.685 1.00 0.00 N ATOM 585 CA CYS A 393 -9.059 2.941 0.261 1.00 0.00 C ATOM 586 C CYS A 393 -9.866 2.407 1.438 1.00 0.00 C ATOM 587 O CYS A 393 -9.361 1.632 2.249 1.00 0.00 O ATOM 588 CB CYS A 393 -9.041 1.884 -0.839 1.00 0.00 C ATOM 589 SG CYS A 393 -7.668 2.034 -2.027 1.00 0.00 S ATOM 0 H CYS A 393 -6.999 2.598 0.390 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.518 3.853 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.994 0.899 -0.375 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.982 1.934 -1.386 1.00 0.00 H new ATOM 594 N LYS A 394 -11.125 2.807 1.510 1.00 0.00 N ATOM 595 CA LYS A 394 -12.011 2.349 2.571 1.00 0.00 C ATOM 596 C LYS A 394 -12.764 1.108 2.117 1.00 0.00 C ATOM 597 O LYS A 394 -13.483 1.140 1.118 1.00 0.00 O ATOM 598 CB LYS A 394 -12.993 3.454 2.969 1.00 0.00 C ATOM 599 CG LYS A 394 -13.921 3.062 4.110 1.00 0.00 C ATOM 600 CD LYS A 394 -14.824 4.214 4.522 1.00 0.00 C ATOM 601 CE LYS A 394 -15.745 4.642 3.390 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.626 5.774 3.787 1.00 0.00 N ATOM 0 H LYS A 394 -11.558 3.449 0.846 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.410 2.098 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.430 4.342 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.593 3.725 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.532 2.212 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.329 2.740 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.421 3.917 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.213 5.061 4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.147 4.933 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.359 3.795 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -17.238 6.035 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -17.215 5.488 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -16.041 6.591 4.057 1.00 0.00 H new ATOM 616 N TRP A 395 -12.585 0.014 2.846 1.00 0.00 N ATOM 617 CA TRP A 395 -13.242 -1.237 2.500 1.00 0.00 C ATOM 618 C TRP A 395 -14.724 -1.204 2.859 1.00 0.00 C ATOM 619 O TRP A 395 -15.089 -1.129 4.032 1.00 0.00 O ATOM 620 CB TRP A 395 -12.562 -2.411 3.207 1.00 0.00 C ATOM 621 CG TRP A 395 -13.176 -3.738 2.879 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.633 -4.670 3.767 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.396 -4.287 1.572 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.129 -5.760 3.094 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.995 -5.549 1.746 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.150 -3.833 0.271 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.348 -6.361 0.672 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.502 -4.642 -0.794 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.097 -5.892 -0.587 1.00 0.00 C ATOM 0 H TRP A 395 -11.994 -0.032 3.676 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.155 -1.369 1.421 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.507 -2.429 2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.609 -2.253 4.285 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.608 -4.565 4.842 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.532 -6.591 3.527 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.694 -2.869 0.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.804 -7.327 0.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.315 -4.304 -1.802 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.363 -6.499 -1.440 1.00 0.00 H new ATOM 640 N HIS A 396 -15.571 -1.280 1.838 1.00 0.00 N ATOM 641 CA HIS A 396 -17.015 -1.281 2.039 1.00 0.00 C ATOM 642 C HIS A 396 -17.509 -2.682 2.378 1.00 0.00 C ATOM 643 O HIS A 396 -17.670 -3.529 1.489 1.00 0.00 O ATOM 644 CB HIS A 396 -17.736 -0.769 0.791 1.00 0.00 C ATOM 645 CG HIS A 396 -17.448 0.663 0.468 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.687 1.697 1.348 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.954 1.235 -0.654 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.354 2.841 0.781 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.905 2.589 -0.436 1.00 0.00 N ATOM 0 H HIS A 396 -15.282 -1.342 0.862 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.237 -0.615 2.873 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.451 -1.387 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.810 -0.891 0.929 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.063 1.594 2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.654 0.721 -1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.435 3.818 1.235 1.00 0.00 H new ATOM 658 N ASN A 397 -17.745 -2.911 3.670 1.00 0.00 N ATOM 659 CA ASN A 397 -18.223 -4.200 4.163 1.00 0.00 C ATOM 660 C ASN A 397 -19.740 -4.300 4.037 1.00 0.00 C ATOM 661 O ASN A 397 -20.442 -3.290 4.085 1.00 0.00 O ATOM 662 CB ASN A 397 -17.800 -4.395 5.622 1.00 0.00 C ATOM 663 CG ASN A 397 -18.229 -5.737 6.187 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.420 -6.022 6.309 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.256 -6.572 6.533 1.00 0.00 N ATOM 0 H ASN A 397 -17.611 -2.211 4.400 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.777 -4.987 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.716 -4.305 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.228 -3.597 6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.484 -7.489 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.281 -6.296 6.415 1.00 0.00 H new ATOM 672 N ASP A 398 -20.233 -5.524 3.873 1.00 0.00 N ATOM 673 CA ASP A 398 -21.665 -5.767 3.736 1.00 0.00 C ATOM 674 C ASP A 398 -22.206 -5.062 2.496 1.00 0.00 C ATOM 675 O ASP A 398 -23.369 -4.659 2.446 1.00 0.00 O ATOM 676 CB ASP A 398 -22.410 -5.294 4.990 1.00 0.00 C ATOM 677 CG ASP A 398 -23.886 -5.642 4.961 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.209 -6.846 4.881 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.717 -4.713 5.018 1.00 0.00 O ATOM 0 H ASP A 398 -19.659 -6.366 3.832 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.826 -6.839 3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -21.952 -5.744 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.297 -4.214 5.089 1.00 0.00 H new ATOM 684 N ALA A 399 -21.350 -4.928 1.491 1.00 0.00 N ATOM 685 CA ALA A 399 -21.727 -4.287 0.239 1.00 0.00 C ATOM 686 C ALA A 399 -22.571 -5.229 -0.609 1.00 0.00 C ATOM 687 O ALA A 399 -22.560 -6.442 -0.398 1.00 0.00 O ATOM 688 CB ALA A 399 -20.487 -3.848 -0.526 1.00 0.00 C ATOM 0 H ALA A 399 -20.385 -5.257 1.520 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.323 -3.404 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.785 -3.371 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.918 -3.141 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.868 -4.718 -0.745 1.00 0.00 H new ATOM 694 N GLU A 400 -23.294 -4.669 -1.574 1.00 0.00 N ATOM 695 CA GLU A 400 -24.135 -5.465 -2.461 1.00 0.00 C ATOM 696 C GLU A 400 -23.327 -6.611 -3.057 1.00 0.00 C ATOM 697 O GLU A 400 -23.873 -7.656 -3.411 1.00 0.00 O ATOM 698 CB GLU A 400 -24.707 -4.589 -3.577 1.00 0.00 C ATOM 699 CG GLU A 400 -25.612 -5.340 -4.539 1.00 0.00 C ATOM 700 CD GLU A 400 -26.168 -4.450 -5.635 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.839 -3.246 -5.647 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.932 -4.960 -6.481 1.00 0.00 O ATOM 0 H GLU A 400 -23.314 -3.667 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.962 -5.878 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.268 -3.767 -3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.884 -4.146 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.054 -6.160 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.438 -5.784 -3.983 1.00 0.00 H new ATOM 709 N ASN A 401 -22.020 -6.398 -3.155 1.00 0.00 N ATOM 710 CA ASN A 401 -21.110 -7.394 -3.697 1.00 0.00 C ATOM 711 C ASN A 401 -19.662 -6.987 -3.436 1.00 0.00 C ATOM 712 O ASN A 401 -18.815 -7.063 -4.325 1.00 0.00 O ATOM 713 CB ASN A 401 -21.352 -7.571 -5.201 1.00 0.00 C ATOM 714 CG ASN A 401 -21.149 -6.292 -6.001 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.866 -5.185 -5.318 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.255 -6.297 -7.227 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.565 -5.533 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.298 -8.346 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.679 -8.339 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.369 -7.931 -5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.473 -7.165 -7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.125 -5.433 -7.754 1.00 0.00 H new ATOM 723 N LYS A 402 -19.402 -6.542 -2.205 1.00 0.00 N ATOM 724 CA LYS A 402 -18.068 -6.099 -1.800 1.00 0.00 C ATOM 725 C LYS A 402 -17.664 -4.849 -2.574 1.00 0.00 C ATOM 726 O LYS A 402 -17.687 -4.840 -3.805 1.00 0.00 O ATOM 727 CB LYS A 402 -17.040 -7.212 -2.027 1.00 0.00 C ATOM 728 CG LYS A 402 -17.333 -8.488 -1.252 1.00 0.00 C ATOM 729 CD LYS A 402 -17.254 -8.262 0.249 1.00 0.00 C ATOM 730 CE LYS A 402 -17.484 -9.552 1.021 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.833 -10.123 0.757 1.00 0.00 N ATOM 0 H LYS A 402 -20.104 -6.479 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.095 -5.860 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.001 -7.446 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.053 -6.845 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.326 -8.853 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.622 -9.262 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.277 -7.853 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -17.997 -7.522 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -16.721 -10.281 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.373 -9.361 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.017 -10.901 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.553 -9.383 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.872 -10.485 -0.217 1.00 0.00 H new ATOM 745 N LYS A 403 -17.302 -3.787 -1.857 1.00 0.00 N ATOM 746 CA LYS A 403 -16.910 -2.543 -2.515 1.00 0.00 C ATOM 747 C LYS A 403 -15.690 -1.913 -1.852 1.00 0.00 C ATOM 748 O LYS A 403 -15.418 -2.147 -0.680 1.00 0.00 O ATOM 749 CB LYS A 403 -18.079 -1.555 -2.522 1.00 0.00 C ATOM 750 CG LYS A 403 -19.293 -2.067 -3.282 1.00 0.00 C ATOM 751 CD LYS A 403 -20.371 -1.000 -3.430 1.00 0.00 C ATOM 752 CE LYS A 403 -21.092 -0.725 -2.118 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.201 -0.101 -1.102 1.00 0.00 N ATOM 0 H LYS A 403 -17.272 -3.762 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.639 -2.785 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.368 -1.337 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.750 -0.616 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.984 -2.408 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.708 -2.930 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.919 -0.078 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.095 -1.319 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.942 -0.069 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.491 -1.659 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.735 0.610 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.847 -0.833 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.398 0.357 -1.579 1.00 0.00 H new ATOM 767 N CYS A 404 -14.959 -1.111 -2.625 1.00 0.00 N ATOM 768 CA CYS A 404 -13.760 -0.433 -2.135 1.00 0.00 C ATOM 769 C CYS A 404 -13.605 0.915 -2.832 1.00 0.00 C ATOM 770 O CYS A 404 -13.682 0.995 -4.056 1.00 0.00 O ATOM 771 CB CYS A 404 -12.517 -1.296 -2.391 1.00 0.00 C ATOM 772 SG CYS A 404 -10.963 -0.579 -1.762 1.00 0.00 S ATOM 0 H CYS A 404 -15.179 -0.914 -3.601 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.862 -0.274 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.666 -2.272 -1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.419 -1.462 -3.464 1.00 0.00 H new ATOM 777 N THR A 405 -13.394 1.976 -2.055 1.00 0.00 N ATOM 778 CA THR A 405 -13.239 3.315 -2.623 1.00 0.00 C ATOM 779 C THR A 405 -12.244 4.146 -1.822 1.00 0.00 C ATOM 780 O THR A 405 -12.279 4.158 -0.594 1.00 0.00 O ATOM 781 CB THR A 405 -14.581 4.073 -2.675 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.071 4.288 -1.348 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.614 3.303 -3.485 1.00 0.00 C ATOM 0 H THR A 405 -13.327 1.936 -1.038 1.00 0.00 H new ATOM 0 HA THR A 405 -12.866 3.175 -3.638 1.00 0.00 H new ATOM 0 HB THR A 405 -14.410 5.033 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.825 3.686 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.550 3.861 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.251 3.168 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.782 2.328 -3.027 1.00 0.00 H new ATOM 791 N LEU A 406 -11.360 4.841 -2.530 1.00 0.00 N ATOM 792 CA LEU A 406 -10.350 5.677 -1.896 1.00 0.00 C ATOM 793 C LEU A 406 -10.993 6.715 -0.988 1.00 0.00 C ATOM 794 O LEU A 406 -12.054 7.259 -1.294 1.00 0.00 O ATOM 795 CB LEU A 406 -9.496 6.361 -2.965 1.00 0.00 C ATOM 796 CG LEU A 406 -8.188 6.996 -2.487 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.445 8.293 -1.741 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.405 6.020 -1.626 1.00 0.00 C ATOM 0 H LEU A 406 -11.324 4.841 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.712 5.042 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.258 5.626 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.098 7.136 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.589 7.235 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.496 8.719 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.952 8.998 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.072 8.095 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.478 6.489 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.001 5.742 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.173 5.127 -2.207 1.00 0.00 H new ATOM 810 N ASP A 407 -10.330 6.983 0.125 1.00 0.00 N ATOM 811 CA ASP A 407 -10.811 7.959 1.093 1.00 0.00 C ATOM 812 C ASP A 407 -9.744 9.023 1.336 1.00 0.00 C ATOM 813 O ASP A 407 -8.572 8.702 1.519 1.00 0.00 O ATOM 814 CB ASP A 407 -11.179 7.263 2.405 1.00 0.00 C ATOM 815 CG ASP A 407 -11.841 8.196 3.400 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.198 9.182 3.812 1.00 0.00 O ATOM 817 OD2 ASP A 407 -13.008 7.938 3.768 1.00 0.00 O ATOM 0 H ASP A 407 -9.451 6.535 0.383 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.703 8.443 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.849 6.430 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.279 6.842 2.852 1.00 0.00 H new ATOM 822 N LYS A 408 -10.152 10.287 1.319 1.00 0.00 N ATOM 823 CA LYS A 408 -9.220 11.391 1.523 1.00 0.00 C ATOM 824 C LYS A 408 -8.633 11.379 2.933 1.00 0.00 C ATOM 825 O LYS A 408 -7.426 11.529 3.110 1.00 0.00 O ATOM 826 CB LYS A 408 -9.911 12.728 1.257 1.00 0.00 C ATOM 827 CG LYS A 408 -10.438 12.865 -0.165 1.00 0.00 C ATOM 828 CD LYS A 408 -11.088 14.223 -0.398 1.00 0.00 C ATOM 829 CE LYS A 408 -10.088 15.359 -0.246 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.960 15.241 -1.210 1.00 0.00 N ATOM 0 H LYS A 408 -11.119 10.573 1.167 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.400 11.263 0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.739 12.846 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.208 13.537 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.619 12.728 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.164 12.076 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.522 14.252 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.906 14.361 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.596 16.312 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -9.697 15.364 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -8.435 16.138 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.322 14.477 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.333 15.025 -2.156 1.00 0.00 H new ATOM 844 N GLU A 409 -9.493 11.204 3.931 1.00 0.00 N ATOM 845 CA GLU A 409 -9.058 11.179 5.326 1.00 0.00 C ATOM 846 C GLU A 409 -8.115 10.008 5.597 1.00 0.00 C ATOM 847 O GLU A 409 -7.116 10.154 6.300 1.00 0.00 O ATOM 848 CB GLU A 409 -10.269 11.096 6.258 1.00 0.00 C ATOM 849 CG GLU A 409 -11.220 12.275 6.127 1.00 0.00 C ATOM 850 CD GLU A 409 -12.409 12.175 7.064 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.495 11.179 7.814 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.256 13.093 7.047 1.00 0.00 O ATOM 0 H GLU A 409 -10.497 11.077 3.801 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.515 12.104 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.814 10.175 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.920 11.034 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.678 13.198 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.577 12.336 5.099 1.00 0.00 H new ATOM 859 N GLU A 410 -8.442 8.846 5.046 1.00 0.00 N ATOM 860 CA GLU A 410 -7.624 7.654 5.240 1.00 0.00 C ATOM 861 C GLU A 410 -6.299 7.765 4.488 1.00 0.00 C ATOM 862 O GLU A 410 -5.243 7.420 5.017 1.00 0.00 O ATOM 863 CB GLU A 410 -8.383 6.407 4.782 1.00 0.00 C ATOM 864 CG GLU A 410 -7.603 5.113 4.959 1.00 0.00 C ATOM 865 CD GLU A 410 -7.278 4.813 6.412 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.551 5.613 7.038 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.750 3.775 6.921 1.00 0.00 O ATOM 0 H GLU A 410 -9.266 8.703 4.462 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.406 7.568 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.317 6.336 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.647 6.520 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.180 4.287 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.676 5.173 4.389 1.00 0.00 H new ATOM 874 N ALA A 411 -6.366 8.242 3.249 1.00 0.00 N ATOM 875 CA ALA A 411 -5.177 8.393 2.417 1.00 0.00 C ATOM 876 C ALA A 411 -4.190 9.385 3.018 1.00 0.00 C ATOM 877 O ALA A 411 -2.989 9.121 3.070 1.00 0.00 O ATOM 878 CB ALA A 411 -5.569 8.827 1.013 1.00 0.00 C ATOM 0 H ALA A 411 -7.234 8.531 2.798 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.683 7.423 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.673 8.936 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.222 8.075 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.094 9.781 1.060 1.00 0.00 H new ATOM 884 N LYS A 412 -4.698 10.528 3.467 1.00 0.00 N ATOM 885 CA LYS A 412 -3.848 11.554 4.058 1.00 0.00 C ATOM 886 C LYS A 412 -3.160 11.028 5.314 1.00 0.00 C ATOM 887 O LYS A 412 -1.984 11.298 5.544 1.00 0.00 O ATOM 888 CB LYS A 412 -4.663 12.807 4.386 1.00 0.00 C ATOM 889 CG LYS A 412 -5.764 12.571 5.404 1.00 0.00 C ATOM 890 CD LYS A 412 -6.538 13.845 5.704 1.00 0.00 C ATOM 891 CE LYS A 412 -5.653 14.900 6.349 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.419 16.126 6.702 1.00 0.00 N ATOM 0 H LYS A 412 -5.689 10.766 3.433 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.082 11.819 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.991 13.578 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.106 13.192 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.448 11.810 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.330 12.184 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.962 14.240 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.374 13.616 6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.193 14.488 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.844 15.161 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.780 16.821 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.837 16.534 5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.176 15.882 7.372 1.00 0.00 H new